Geometry & MOs

Info

ID:	54210
PubChem CID:	15047393
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	1.23
IP(EA), eV:	-9.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxy-4-methyl-1-phenyl-1H-isoquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

CCOC1=NCC2=CC=CC=C2C1(C)CO

DOS

IR

Vibrations